2-diethylaminoethyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chlorophenyl)thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H24ClN3O2S/c1-3-24(4-2)13-14-26-19(25)15-5-9-17(10-6-15)22-20(27)23-18-11-7-16(21)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H2,22,23,27)